2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide

C23H20ClN3O5S — CID 67480750

IUPAC2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc(Oc2cc(Cl)cc(C#N)c2)c1
InChIInChI=1S/C23H20ClN3O5S/c1-14-5-21(33(26,29)30)3-4-22(14)27-23(28)10-15-7-18(31-2)12-20(8-15)32-19-9-16(13-25)6-17(24)11-19/h3-9,11-12H,10H2,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyOZFOXOIIQSPGJX-UHFFFAOYSA-N
MW485.95 g/mol
LogP4.15
Rot. Bonds7

About 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 67480750) has the molecular formula C23H20ClN3O5S and a molecular weight of 485.95 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID67480750
Molecular FormulaC23H20ClN3O5S
Molecular Weight485.95 g/mol
Exact Mass485.08
IUPAC Name2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc(Oc2cc(Cl)cc(C#N)c2)c1
InChIInChI=1S/C23H20ClN3O5S/c1-14-5-21(33(26,29)30)3-4-22(14)27-23(28)10-15-7-18(31-2)12-20(8-15)32-19-9-16(13-25)6-17(24)11-19/h3-9,11-12H,10H2,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyOZFOXOIIQSPGJX-UHFFFAOYSA-N
XLogP4.15
TPSA131.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide
CID 58856179
2-[4-[[2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl]amino]-3-methylphenyl]sulfonylacetic acid
CID 21079742
2-[4-bromo-3-(3-cyano-5-methoxyphenoxy)-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 24967452
2-[4-chloro-3-[3-cyano-5-[3-(dimethylamino)prop-1-ynyl]phenoxy]-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079710
2-[3-(3,5-dichlorobenzoyl)-5-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67481295
2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 143402513
2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
CID 87760016
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]acetamide
CID 68807046
N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide
CID 67480996
N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylbutanamide
CID 11505476

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 67480750) is 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is COc1cc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc(Oc2cc(Cl)cc(C#N)c2)c1.
What is the InChIKey of 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is OZFOXOIIQSPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5S/c1-14-5-21(33(26,29)30)3-4-22(14)27-23(28)10-15-7-18(31-2)12-20(8-15)32-19-9-16(13-25)6-17(24)11-19/h3-9,11-12H,10H2,1-2H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 485.95 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 67480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).